Molecule ID: mol20211

SMILES: Clc1cccc(Nc2c3ccccc3nc3ccccc23)c1

InChI: InChI=1S/C19H13ClN2/c20-13-6-5-7-14(12-13)21-19-15-8-1-3-10-17(15)22-18-11-4-2-9-16(18)19/h1-12H,(H,21,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.76 Baltruschat ChEMBL 1 » 0
6.76 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization